5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C15H16N4O3 — CID 97442825

IUPAC5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCC(=O)N1Cc2nc(C(=O)NCCc3cccnc3)oc2C1
InChIInChI=1S/C15H16N4O3/c1-10(20)19-8-12-13(9-19)22-15(18-12)14(21)17-6-4-11-3-2-5-16-7-11/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,21)
InChIKeyVUAXUIGNHWFYEE-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.90
Rot. Bonds4

About 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442825) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442825
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCC(=O)N1Cc2nc(C(=O)NCCc3cccnc3)oc2C1
InChIInChI=1S/C15H16N4O3/c1-10(20)19-8-12-13(9-19)22-15(18-12)14(21)17-6-4-11-3-2-5-16-7-11/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,21)
InChIKeyVUAXUIGNHWFYEE-UHFFFAOYSA-N
XLogP0.90
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442825) is 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is CC(=O)N1Cc2nc(C(=O)NCCc3cccnc3)oc2C1.
What is the InChIKey of 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is VUAXUIGNHWFYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10(20)19-8-12-13(9-19)22-15(18-12)14(21)17-6-4-11-3-2-5-16-7-11/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,21).
What are the key properties of 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).